5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

C10H10N4O3 — CID 83102585

IUPAC5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCOc1nc2nc(C3CC3)cc(C(=O)O)n2n1
InChIInChI=1S/C10H10N4O3/c1-17-10-12-9-11-6(5-2-3-5)4-7(8(15)16)14(9)13-10/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyIQDAKVZUMPQGAU-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.71
Rot. Bonds3

About 5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 83102585) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID83102585
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC Name5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCOc1nc2nc(C3CC3)cc(C(=O)O)n2n1
InChIInChI=1S/C10H10N4O3/c1-17-10-12-9-11-6(5-2-3-5)4-7(8(15)16)14(9)13-10/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyIQDAKVZUMPQGAU-UHFFFAOYSA-N
XLogP0.71
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 83102585) is 5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is COc1nc2nc(C3CC3)cc(C(=O)O)n2n1.
What is the InChIKey of 5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is IQDAKVZUMPQGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-17-10-12-9-11-6(5-2-3-5)4-7(8(15)16)14(9)13-10/h4-5H,2-3H2,1H3,(H,15,16).
What are the key properties of 5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 83102585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).